Information card for entry 7101337

Structure parameters

• Formula: C52 H73 N O3
• Calculated formula: C52 H73 N O3
• Title of publication: Vanadyl C and N-capped tris(phenolate) complexes: influence of pro-catalyst geometry on catalytic activity.
• Authors of publication: Carl Redshaw; Sophie H. Dale; Mark R.J. Elsegood; Damien M. Hamden; Sadahiko Matsuura; Shigekazu Matsui; Michael Rowan
• Journal of publication: Chemical Communications
• Year of publication: 2006
• Journal issue: 31
• a: 14.452 ± 0.002 Å
• b: 14.819 ± 0.003 Å
• c: 14.999 ± 0.003 Å
• α: 116.865 ± 0.002°
• β: 116.214 ± 0.002°
• γ: 91.421 ± 0.003°
• Cell volume: 2467.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1094
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1975
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.8464 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No